N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G637-0816 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C29 H33 N3 O6 S |
| Smiles: | Cc1ccc(/C=C/c2c(c(C)no2)S(N2CCC(CC2)C(N(C)CC2COc3ccccc3O2)=O)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.91 |
| logD: | 3.91 |
| logSw: | -3.9496 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.295 |
| InChI Key: | KQVCJWDCKJXQBH-DEOSSOPVSA-N |